USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= -0.552 K(o=-2.1,f=-2.9) USER MOD Set 1.2: A 106 GLN : amide:sc= -1.53 K(o=-2.1,f=-3.2!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -130:sc= -3.71! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 51:sc= 0.204 USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc=-0.00649 (180deg=-0.0566) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -1.19 F(o=-2.7,f=-1.2) USER MOD Single : A 74 THR OG1 : rot 9:sc= 0.794 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 162:sc= -0.221 (180deg=-1.02) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 7.045 -9.781 -1.575 1.00 0.00 N ATOM 526 CA GLN A 35 6.083 -8.641 -1.631 1.00 0.00 C ATOM 527 C GLN A 35 4.646 -9.153 -1.503 1.00 0.00 C ATOM 528 O GLN A 35 4.190 -9.956 -2.294 1.00 0.00 O ATOM 529 CB GLN A 35 6.303 -7.999 -3.003 1.00 0.00 C ATOM 530 CG GLN A 35 5.553 -6.668 -3.069 1.00 0.00 C ATOM 531 CD GLN A 35 6.102 -5.827 -4.223 1.00 0.00 C ATOM 532 OE1 GLN A 35 6.532 -4.708 -4.024 1.00 0.00 O ATOM 533 NE2 GLN A 35 6.106 -6.322 -5.430 1.00 0.00 N ATOM 0 HA GLN A 35 6.241 -7.931 -0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.367 -7.838 -3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.951 -8.667 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.487 -6.846 -3.210 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.664 -6.129 -2.128 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.745 -7.261 -5.597 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.470 -5.770 -6.206 1.00 0.00 H new ATOM 542 N ARG A 36 3.931 -8.696 -0.510 1.00 0.00 N ATOM 543 CA ARG A 36 2.524 -9.155 -0.327 1.00 0.00 C ATOM 544 C ARG A 36 1.599 -7.950 -0.109 1.00 0.00 C ATOM 545 O ARG A 36 1.946 -7.032 0.610 1.00 0.00 O ATOM 546 CB ARG A 36 2.555 -10.036 0.922 1.00 0.00 C ATOM 547 CG ARG A 36 1.324 -10.944 0.941 1.00 0.00 C ATOM 548 CD ARG A 36 1.454 -12.002 -0.158 1.00 0.00 C ATOM 549 NE ARG A 36 0.508 -13.083 0.237 1.00 0.00 N ATOM 550 CZ ARG A 36 0.032 -13.895 -0.667 1.00 0.00 C ATOM 551 NH1 ARG A 36 -0.698 -13.429 -1.643 1.00 0.00 N ATOM 552 NH2 ARG A 36 0.284 -15.173 -0.593 1.00 0.00 N ATOM 0 H ARG A 36 4.261 -8.024 0.183 1.00 0.00 H new ATOM 0 HA ARG A 36 2.148 -9.693 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.464 -10.638 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.575 -9.414 1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.229 -11.425 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.421 -10.354 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.198 -11.591 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.475 -12.376 -0.227 1.00 0.00 H new ATOM 0 HE ARG A 36 0.233 -13.188 1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.897 -12.430 -1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.070 -14.064 -2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.853 -15.537 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.088 -15.808 -1.299 1.00 0.00 H new ATOM 566 N PRO A 37 0.449 -7.986 -0.735 1.00 0.00 N ATOM 567 CA PRO A 37 -0.520 -6.873 -0.594 1.00 0.00 C ATOM 568 C PRO A 37 -1.165 -6.904 0.795 1.00 0.00 C ATOM 569 O PRO A 37 -2.136 -7.598 1.024 1.00 0.00 O ATOM 570 CB PRO A 37 -1.552 -7.152 -1.682 1.00 0.00 C ATOM 571 CG PRO A 37 -1.470 -8.624 -1.927 1.00 0.00 C ATOM 572 CD PRO A 37 -0.056 -9.046 -1.622 1.00 0.00 C ATOM 0 HA PRO A 37 -0.062 -5.889 -0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.552 -6.861 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.332 -6.588 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.177 -9.160 -1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.727 -8.857 -2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.027 -10.021 -1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.542 -9.125 -2.530 1.00 0.00 H new ATOM 580 N PHE A 38 -0.630 -6.156 1.723 1.00 0.00 N ATOM 581 CA PHE A 38 -1.208 -6.140 3.097 1.00 0.00 C ATOM 582 C PHE A 38 -2.317 -5.090 3.190 1.00 0.00 C ATOM 583 O PHE A 38 -2.094 -3.918 2.958 1.00 0.00 O ATOM 584 CB PHE A 38 -0.040 -5.770 4.014 1.00 0.00 C ATOM 585 CG PHE A 38 0.891 -6.951 4.146 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.411 -8.169 4.644 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.235 -6.828 3.773 1.00 0.00 C ATOM 588 CE1 PHE A 38 1.276 -9.263 4.766 1.00 0.00 C ATOM 589 CE2 PHE A 38 3.099 -7.923 3.896 1.00 0.00 C ATOM 590 CZ PHE A 38 2.619 -9.140 4.394 1.00 0.00 C ATOM 0 H PHE A 38 0.183 -5.555 1.588 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.653 -7.097 3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.498 -4.913 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.413 -5.476 4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.625 -8.264 4.934 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.605 -5.888 3.390 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.906 -10.203 5.148 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.135 -7.829 3.607 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.286 -9.984 4.491 1.00 0.00 H new ATOM 600 N ARG A 39 -3.510 -5.500 3.528 1.00 0.00 N ATOM 601 CA ARG A 39 -4.632 -4.524 3.635 1.00 0.00 C ATOM 602 C ARG A 39 -4.379 -3.553 4.791 1.00 0.00 C ATOM 603 O ARG A 39 -4.442 -3.920 5.950 1.00 0.00 O ATOM 604 CB ARG A 39 -5.878 -5.370 3.908 1.00 0.00 C ATOM 605 CG ARG A 39 -7.127 -4.582 3.506 1.00 0.00 C ATOM 606 CD ARG A 39 -8.319 -5.534 3.395 1.00 0.00 C ATOM 607 NE ARG A 39 -9.309 -4.813 2.544 1.00 0.00 N ATOM 608 CZ ARG A 39 -10.151 -5.485 1.807 1.00 0.00 C ATOM 609 NH1 ARG A 39 -9.708 -6.284 0.875 1.00 0.00 N ATOM 610 NH2 ARG A 39 -11.434 -5.359 2.003 1.00 0.00 N ATOM 0 H ARG A 39 -3.756 -6.468 3.735 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.741 -3.923 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.827 -6.303 3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.926 -5.635 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.334 -3.808 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.961 -4.078 2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.027 -6.482 2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.734 -5.763 4.376 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.328 -3.793 2.538 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.704 -6.383 0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.365 -6.809 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.780 -4.735 2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.092 -5.884 1.427 1.00 0.00 H new ATOM 624 N VAL A 40 -4.091 -2.314 4.482 1.00 0.00 N ATOM 625 CA VAL A 40 -3.833 -1.312 5.556 1.00 0.00 C ATOM 626 C VAL A 40 -5.051 -0.396 5.713 1.00 0.00 C ATOM 627 O VAL A 40 -5.806 -0.190 4.784 1.00 0.00 O ATOM 628 CB VAL A 40 -2.617 -0.514 5.075 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.196 0.479 6.157 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.456 -1.469 4.789 1.00 0.00 C ATOM 0 H VAL A 40 -4.024 -1.954 3.530 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.652 -1.777 6.525 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.879 0.025 4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.331 1.046 5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.019 1.163 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.937 -0.062 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.592 -0.899 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.197 -2.010 5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.751 -2.179 4.017 1.00 0.00 H new ATOM 640 N CYS A 41 -5.251 0.149 6.883 1.00 0.00 N ATOM 641 CA CYS A 41 -6.424 1.045 7.100 1.00 0.00 C ATOM 642 C CYS A 41 -6.030 2.250 7.959 1.00 0.00 C ATOM 643 O CYS A 41 -4.946 2.310 8.502 1.00 0.00 O ATOM 644 CB CYS A 41 -7.452 0.179 7.831 1.00 0.00 C ATOM 645 SG CYS A 41 -9.115 0.823 7.520 1.00 0.00 S ATOM 0 H CYS A 41 -4.653 0.013 7.698 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.814 1.443 6.163 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.381 -0.854 7.490 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.246 0.177 8.901 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.989 0.086 8.139 1.00 0.00 H new ATOM 651 N ASP A 42 -6.908 3.210 8.082 1.00 0.00 N ATOM 652 CA ASP A 42 -6.597 4.416 8.904 1.00 0.00 C ATOM 653 C ASP A 42 -7.523 4.468 10.124 1.00 0.00 C ATOM 654 O ASP A 42 -8.382 3.624 10.291 1.00 0.00 O ATOM 655 CB ASP A 42 -6.847 5.608 7.982 1.00 0.00 C ATOM 656 CG ASP A 42 -5.914 6.755 8.376 1.00 0.00 C ATOM 657 OD1 ASP A 42 -5.725 6.957 9.565 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.405 7.410 7.483 1.00 0.00 O ATOM 0 H ASP A 42 -7.831 3.211 7.647 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.574 4.410 9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.674 5.323 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.886 5.928 8.055 1.00 0.00 H new ATOM 663 N HIS A 43 -7.342 5.442 10.987 1.00 0.00 N ATOM 664 CA HIS A 43 -8.193 5.552 12.216 1.00 0.00 C ATOM 665 C HIS A 43 -9.641 5.091 11.955 1.00 0.00 C ATOM 666 O HIS A 43 -9.972 3.944 12.181 1.00 0.00 O ATOM 667 CB HIS A 43 -8.150 7.039 12.585 1.00 0.00 C ATOM 668 CG HIS A 43 -9.016 7.286 13.791 1.00 0.00 C ATOM 669 ND1 HIS A 43 -9.015 6.441 14.889 1.00 0.00 N ATOM 670 CD2 HIS A 43 -9.916 8.283 14.088 1.00 0.00 C ATOM 671 CE1 HIS A 43 -9.888 6.936 15.784 1.00 0.00 C ATOM 672 NE2 HIS A 43 -10.464 8.059 15.346 1.00 0.00 N ATOM 0 H HIS A 43 -6.635 6.171 10.891 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.825 4.912 13.018 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.124 7.343 12.793 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.497 7.642 11.746 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.160 9.114 13.442 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.098 6.481 16.741 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.157 8.630 15.830 1.00 0.00 H new ATOM 680 N LYS A 44 -10.507 5.960 11.490 1.00 0.00 N ATOM 681 CA LYS A 44 -11.914 5.523 11.239 1.00 0.00 C ATOM 682 C LYS A 44 -12.099 5.050 9.791 1.00 0.00 C ATOM 683 O LYS A 44 -12.290 3.877 9.534 1.00 0.00 O ATOM 684 CB LYS A 44 -12.765 6.765 11.511 1.00 0.00 C ATOM 685 CG LYS A 44 -14.244 6.436 11.287 1.00 0.00 C ATOM 686 CD LYS A 44 -14.701 5.398 12.315 1.00 0.00 C ATOM 687 CE LYS A 44 -14.704 4.007 11.676 1.00 0.00 C ATOM 688 NZ LYS A 44 -15.775 3.257 12.391 1.00 0.00 N ATOM 0 H LYS A 44 -10.304 6.937 11.277 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.194 4.681 11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.609 7.107 12.534 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.460 7.578 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.846 7.340 11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.393 6.053 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.037 5.411 13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.699 5.645 12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.908 4.064 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.736 3.518 11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.838 2.292 12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.550 3.213 13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.686 3.742 12.259 1.00 0.00 H new ATOM 702 N ARG A 45 -12.048 5.952 8.846 1.00 0.00 N ATOM 703 CA ARG A 45 -12.224 5.547 7.418 1.00 0.00 C ATOM 704 C ARG A 45 -11.517 6.528 6.472 1.00 0.00 C ATOM 705 O ARG A 45 -11.754 6.520 5.279 1.00 0.00 O ATOM 706 CB ARG A 45 -13.735 5.578 7.182 1.00 0.00 C ATOM 707 CG ARG A 45 -14.047 5.033 5.787 1.00 0.00 C ATOM 708 CD ARG A 45 -15.513 4.599 5.724 1.00 0.00 C ATOM 709 NE ARG A 45 -16.293 5.858 5.885 1.00 0.00 N ATOM 710 CZ ARG A 45 -16.893 6.389 4.856 1.00 0.00 C ATOM 711 NH1 ARG A 45 -17.546 5.630 4.019 1.00 0.00 N ATOM 712 NH2 ARG A 45 -16.841 7.679 4.665 1.00 0.00 N ATOM 0 H ARG A 45 -11.893 6.948 8.999 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.792 4.566 7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.244 4.981 7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.107 6.598 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.850 5.797 5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.397 4.188 5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.740 4.112 4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.748 3.885 6.513 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.358 6.305 6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.587 4.622 4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.015 6.045 3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.331 8.271 5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.310 8.095 3.860 1.00 0.00 H new ATOM 726 N THR A 46 -10.668 7.380 6.983 1.00 0.00 N ATOM 727 CA THR A 46 -9.971 8.365 6.098 1.00 0.00 C ATOM 728 C THR A 46 -9.293 7.654 4.923 1.00 0.00 C ATOM 729 O THR A 46 -9.457 8.039 3.781 1.00 0.00 O ATOM 730 CB THR A 46 -8.934 9.047 6.992 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.132 8.062 7.627 1.00 0.00 O ATOM 732 CG2 THR A 46 -9.646 9.894 8.049 1.00 0.00 C ATOM 0 H THR A 46 -10.426 7.438 7.972 1.00 0.00 H new ATOM 0 HA THR A 46 -10.666 9.083 5.664 1.00 0.00 H new ATOM 0 HB THR A 46 -8.298 9.691 6.384 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.092 8.243 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.906 10.379 8.685 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.255 10.652 7.558 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.285 9.254 8.658 1.00 0.00 H new ATOM 740 N ILE A 47 -8.536 6.622 5.186 1.00 0.00 N ATOM 741 CA ILE A 47 -7.855 5.895 4.075 1.00 0.00 C ATOM 742 C ILE A 47 -7.836 4.386 4.351 1.00 0.00 C ATOM 743 O ILE A 47 -7.364 3.938 5.377 1.00 0.00 O ATOM 744 CB ILE A 47 -6.431 6.459 4.046 1.00 0.00 C ATOM 745 CG1 ILE A 47 -6.478 7.938 3.651 1.00 0.00 C ATOM 746 CG2 ILE A 47 -5.592 5.690 3.022 1.00 0.00 C ATOM 747 CD1 ILE A 47 -6.510 8.804 4.912 1.00 0.00 C ATOM 0 H ILE A 47 -8.360 6.252 6.120 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.366 6.030 3.122 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.982 6.355 5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.608 8.191 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.359 8.134 3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.580 6.094 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.557 4.636 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.041 5.792 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.543 9.856 4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.394 8.558 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.615 8.616 5.505 1.00 0.00 H new ATOM 759 N ARG A 48 -8.342 3.604 3.436 1.00 0.00 N ATOM 760 CA ARG A 48 -8.353 2.124 3.631 1.00 0.00 C ATOM 761 C ARG A 48 -8.025 1.418 2.312 1.00 0.00 C ATOM 762 O ARG A 48 -8.904 1.107 1.530 1.00 0.00 O ATOM 763 CB ARG A 48 -9.775 1.793 4.081 1.00 0.00 C ATOM 764 CG ARG A 48 -9.892 0.288 4.342 1.00 0.00 C ATOM 765 CD ARG A 48 -11.227 -0.012 5.032 1.00 0.00 C ATOM 766 NE ARG A 48 -11.994 -0.827 4.050 1.00 0.00 N ATOM 767 CZ ARG A 48 -12.880 -0.259 3.281 1.00 0.00 C ATOM 768 NH1 ARG A 48 -13.793 0.516 3.797 1.00 0.00 N ATOM 769 NH2 ARG A 48 -12.853 -0.464 1.991 1.00 0.00 N ATOM 0 H ARG A 48 -8.750 3.927 2.559 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.612 1.796 4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.020 2.350 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.490 2.097 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.825 -0.260 3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.065 -0.048 4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.076 -0.556 5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.757 0.907 5.282 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.826 -1.831 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.815 0.678 4.804 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.486 0.960 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.139 -1.069 1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.546 -0.019 1.389 1.00 0.00 H new ATOM 783 N LYS A 49 -6.769 1.167 2.055 1.00 0.00 N ATOM 784 CA LYS A 49 -6.384 0.484 0.785 1.00 0.00 C ATOM 785 C LYS A 49 -5.267 -0.530 1.046 1.00 0.00 C ATOM 786 O LYS A 49 -4.413 -0.324 1.887 1.00 0.00 O ATOM 787 CB LYS A 49 -5.894 1.606 -0.135 1.00 0.00 C ATOM 788 CG LYS A 49 -5.471 1.020 -1.484 1.00 0.00 C ATOM 789 CD LYS A 49 -6.714 0.747 -2.335 1.00 0.00 C ATOM 790 CE LYS A 49 -7.036 1.983 -3.181 1.00 0.00 C ATOM 791 NZ LYS A 49 -6.405 1.719 -4.502 1.00 0.00 N ATOM 0 H LYS A 49 -5.992 1.406 2.671 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.213 -0.069 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.685 2.342 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.054 2.126 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.808 1.713 -2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.911 0.097 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.544 -0.114 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.560 0.502 -1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.112 2.125 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.635 2.889 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.582 2.523 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.380 1.595 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.811 0.855 -4.914 1.00 0.00 H new ATOM 805 N GLY A 50 -5.266 -1.620 0.326 1.00 0.00 N ATOM 806 CA GLY A 50 -4.204 -2.647 0.526 1.00 0.00 C ATOM 807 C GLY A 50 -3.072 -2.408 -0.472 1.00 0.00 C ATOM 808 O GLY A 50 -3.266 -2.469 -1.672 1.00 0.00 O ATOM 0 H GLY A 50 -5.955 -1.843 -0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.821 -2.597 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.619 -3.646 0.390 1.00 0.00 H new ATOM 812 N LEU A 51 -1.890 -2.137 0.011 1.00 0.00 N ATOM 813 CA LEU A 51 -0.741 -1.891 -0.909 1.00 0.00 C ATOM 814 C LEU A 51 0.269 -3.038 -0.809 1.00 0.00 C ATOM 815 O LEU A 51 0.262 -3.803 0.134 1.00 0.00 O ATOM 816 CB LEU A 51 -0.119 -0.583 -0.422 1.00 0.00 C ATOM 817 CG LEU A 51 -1.116 0.559 -0.616 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.904 1.614 0.471 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.900 1.196 -1.991 1.00 0.00 C ATOM 0 H LEU A 51 -1.669 -2.075 1.005 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.050 -1.831 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.154 -0.667 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.798 -0.377 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.131 0.168 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.615 2.428 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.057 1.162 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.112 2.005 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.611 2.011 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.116 1.586 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.051 0.446 -2.767 1.00 0.00 H new ATOM 831 N THR A 52 1.135 -3.161 -1.779 1.00 0.00 N ATOM 832 CA THR A 52 2.147 -4.259 -1.741 1.00 0.00 C ATOM 833 C THR A 52 3.464 -3.744 -1.153 1.00 0.00 C ATOM 834 O THR A 52 4.139 -2.922 -1.745 1.00 0.00 O ATOM 835 CB THR A 52 2.337 -4.673 -3.202 1.00 0.00 C ATOM 836 OG1 THR A 52 2.385 -3.513 -4.020 1.00 0.00 O ATOM 837 CG2 THR A 52 1.167 -5.559 -3.636 1.00 0.00 C ATOM 0 H THR A 52 1.186 -2.551 -2.595 1.00 0.00 H new ATOM 0 HA THR A 52 1.827 -5.095 -1.119 1.00 0.00 H new ATOM 0 HB THR A 52 3.270 -5.228 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.036 -2.880 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.301 -5.855 -4.677 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.132 -6.449 -3.008 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.234 -5.005 -3.533 1.00 0.00 H new ATOM 845 N ALA A 53 3.832 -4.217 0.008 1.00 0.00 N ATOM 846 CA ALA A 53 5.102 -3.756 0.637 1.00 0.00 C ATOM 847 C ALA A 53 5.943 -4.957 1.075 1.00 0.00 C ATOM 848 O ALA A 53 5.432 -5.919 1.615 1.00 0.00 O ATOM 849 CB ALA A 53 4.668 -2.933 1.849 1.00 0.00 C ATOM 0 H ALA A 53 3.306 -4.904 0.548 1.00 0.00 H new ATOM 0 HA ALA A 53 5.716 -3.175 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.550 -2.557 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.056 -2.094 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.089 -3.561 2.526 1.00 0.00 H new ATOM 855 N ALA A 54 7.227 -4.907 0.849 1.00 0.00 N ATOM 856 CA ALA A 54 8.103 -6.045 1.255 1.00 0.00 C ATOM 857 C ALA A 54 9.402 -5.516 1.872 1.00 0.00 C ATOM 858 O ALA A 54 10.320 -5.134 1.173 1.00 0.00 O ATOM 859 CB ALA A 54 8.394 -6.803 -0.042 1.00 0.00 C ATOM 0 H ALA A 54 7.709 -4.128 0.401 1.00 0.00 H new ATOM 0 HA ALA A 54 7.633 -6.684 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.035 -7.658 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.458 -7.152 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.897 -6.140 -0.746 1.00 0.00 H new ATOM 865 N THR A 55 9.484 -5.495 3.175 1.00 0.00 N ATOM 866 CA THR A 55 10.724 -4.995 3.840 1.00 0.00 C ATOM 867 C THR A 55 10.824 -5.554 5.261 1.00 0.00 C ATOM 868 O THR A 55 9.862 -6.055 5.810 1.00 0.00 O ATOM 869 CB THR A 55 10.579 -3.473 3.871 1.00 0.00 C ATOM 870 OG1 THR A 55 10.078 -3.017 2.623 1.00 0.00 O ATOM 871 CG2 THR A 55 11.942 -2.839 4.137 1.00 0.00 C ATOM 0 H THR A 55 8.746 -5.802 3.809 1.00 0.00 H new ATOM 0 HA THR A 55 11.626 -5.305 3.312 1.00 0.00 H new ATOM 0 HB THR A 55 9.885 -3.190 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.984 -2.042 2.645 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.840 -1.754 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.324 -3.188 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.636 -3.122 3.345 1.00 0.00 H new ATOM 879 N ARG A 56 11.985 -5.478 5.859 1.00 0.00 N ATOM 880 CA ARG A 56 12.152 -6.013 7.242 1.00 0.00 C ATOM 881 C ARG A 56 11.869 -4.928 8.289 1.00 0.00 C ATOM 882 O ARG A 56 10.875 -4.974 8.989 1.00 0.00 O ATOM 883 CB ARG A 56 13.612 -6.466 7.314 1.00 0.00 C ATOM 884 CG ARG A 56 13.890 -7.077 8.690 1.00 0.00 C ATOM 885 CD ARG A 56 15.398 -7.268 8.869 1.00 0.00 C ATOM 886 NE ARG A 56 15.690 -8.595 8.259 1.00 0.00 N ATOM 887 CZ ARG A 56 15.647 -9.673 8.991 1.00 0.00 C ATOM 888 NH1 ARG A 56 16.514 -9.847 9.949 1.00 0.00 N ATOM 889 NH2 ARG A 56 14.734 -10.578 8.765 1.00 0.00 N ATOM 0 H ARG A 56 12.824 -5.068 5.449 1.00 0.00 H new ATOM 0 HA ARG A 56 11.457 -6.826 7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.816 -7.197 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.276 -5.619 7.140 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.499 -6.428 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.378 -8.034 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.958 -6.474 8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 56 15.677 -7.247 9.923 1.00 0.00 H new ATOM 0 HE ARG A 56 15.924 -8.660 7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.227 -9.139 10.126 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.479 -10.691 10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.055 -10.442 8.016 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.700 -11.422 9.337 1.00 0.00 H new ATOM 903 N GLN A 57 12.742 -3.963 8.415 1.00 0.00 N ATOM 904 CA GLN A 57 12.535 -2.888 9.431 1.00 0.00 C ATOM 905 C GLN A 57 11.748 -1.713 8.842 1.00 0.00 C ATOM 906 O GLN A 57 10.816 -1.219 9.446 1.00 0.00 O ATOM 907 CB GLN A 57 13.946 -2.445 9.822 1.00 0.00 C ATOM 908 CG GLN A 57 13.870 -1.486 11.013 1.00 0.00 C ATOM 909 CD GLN A 57 15.284 -1.054 11.409 1.00 0.00 C ATOM 910 OE1 GLN A 57 16.176 -1.026 10.585 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.526 -0.713 12.645 1.00 0.00 N ATOM 0 H GLN A 57 13.591 -3.873 7.857 1.00 0.00 H new ATOM 0 HA GLN A 57 11.958 -3.243 10.285 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.553 -3.313 10.079 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.432 -1.955 8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.271 -0.613 10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.377 -1.972 11.855 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.777 -0.737 13.337 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.464 -0.423 12.920 1.00 0.00 H new ATOM 920 N GLU A 58 12.119 -1.254 7.676 1.00 0.00 N ATOM 921 CA GLU A 58 11.393 -0.099 7.060 1.00 0.00 C ATOM 922 C GLU A 58 9.903 -0.420 6.884 1.00 0.00 C ATOM 923 O GLU A 58 9.091 0.466 6.705 1.00 0.00 O ATOM 924 CB GLU A 58 12.056 0.115 5.699 1.00 0.00 C ATOM 925 CG GLU A 58 11.759 1.532 5.205 1.00 0.00 C ATOM 926 CD GLU A 58 12.353 1.718 3.807 1.00 0.00 C ATOM 927 OE1 GLU A 58 13.477 1.289 3.599 1.00 0.00 O ATOM 928 OE2 GLU A 58 11.673 2.286 2.967 1.00 0.00 O ATOM 0 H GLU A 58 12.891 -1.626 7.123 1.00 0.00 H new ATOM 0 HA GLU A 58 11.448 0.790 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.133 -0.036 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.684 -0.617 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.683 1.702 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.182 2.265 5.892 1.00 0.00 H new ATOM 935 N LEU A 59 9.534 -1.677 6.936 1.00 0.00 N ATOM 936 CA LEU A 59 8.093 -2.045 6.772 1.00 0.00 C ATOM 937 C LEU A 59 7.221 -1.207 7.712 1.00 0.00 C ATOM 938 O LEU A 59 6.293 -0.540 7.288 1.00 0.00 O ATOM 939 CB LEU A 59 8.018 -3.526 7.150 1.00 0.00 C ATOM 940 CG LEU A 59 6.650 -4.083 6.757 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.767 -5.585 6.493 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.659 -3.843 7.897 1.00 0.00 C ATOM 0 H LEU A 59 10.167 -2.463 7.085 1.00 0.00 H new ATOM 0 HA LEU A 59 7.733 -1.863 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.808 -4.082 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.178 -3.648 8.221 1.00 0.00 H new ATOM 0 HG LEU A 59 6.298 -3.582 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.791 -5.982 6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.476 -5.758 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.118 -6.087 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.682 -4.239 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.012 -4.345 8.798 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.576 -2.773 8.087 1.00 0.00 H new ATOM 954 N LEU A 60 7.519 -1.223 8.985 1.00 0.00 N ATOM 955 CA LEU A 60 6.716 -0.414 9.949 1.00 0.00 C ATOM 956 C LEU A 60 6.747 1.056 9.523 1.00 0.00 C ATOM 957 O LEU A 60 5.740 1.739 9.533 1.00 0.00 O ATOM 958 CB LEU A 60 7.410 -0.605 11.303 1.00 0.00 C ATOM 959 CG LEU A 60 6.444 -0.270 12.447 1.00 0.00 C ATOM 960 CD1 LEU A 60 6.016 1.196 12.355 1.00 0.00 C ATOM 961 CD2 LEU A 60 5.209 -1.171 12.364 1.00 0.00 C ATOM 0 H LEU A 60 8.282 -1.760 9.398 1.00 0.00 H new ATOM 0 HA LEU A 60 5.670 -0.718 9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.757 -1.634 11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.290 0.035 11.362 1.00 0.00 H new ATOM 0 HG LEU A 60 6.949 -0.437 13.398 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.330 1.427 13.170 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.895 1.837 12.428 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.518 1.370 11.401 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.527 -0.929 13.179 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.706 -1.012 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.514 -2.214 12.444 1.00 0.00 H new ATOM 973 N ALA A 61 7.898 1.542 9.135 1.00 0.00 N ATOM 974 CA ALA A 61 8.001 2.962 8.689 1.00 0.00 C ATOM 975 C ALA A 61 7.002 3.229 7.560 1.00 0.00 C ATOM 976 O ALA A 61 6.593 4.350 7.331 1.00 0.00 O ATOM 977 CB ALA A 61 9.436 3.117 8.181 1.00 0.00 C ATOM 0 H ALA A 61 8.771 1.016 9.108 1.00 0.00 H new ATOM 0 HA ALA A 61 7.776 3.665 9.491 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.591 4.139 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.134 2.899 8.989 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.607 2.424 7.357 1.00 0.00 H new ATOM 983 N LYS A 62 6.606 2.203 6.855 1.00 0.00 N ATOM 984 CA LYS A 62 5.631 2.390 5.742 1.00 0.00 C ATOM 985 C LYS A 62 4.315 2.950 6.287 1.00 0.00 C ATOM 986 O LYS A 62 3.822 3.957 5.823 1.00 0.00 O ATOM 987 CB LYS A 62 5.420 0.991 5.159 1.00 0.00 C ATOM 988 CG LYS A 62 4.660 1.095 3.835 1.00 0.00 C ATOM 989 CD LYS A 62 3.181 0.772 4.064 1.00 0.00 C ATOM 990 CE LYS A 62 2.367 1.219 2.849 1.00 0.00 C ATOM 991 NZ LYS A 62 2.617 0.179 1.814 1.00 0.00 N ATOM 0 H LYS A 62 6.916 1.243 7.002 1.00 0.00 H new ATOM 0 HA LYS A 62 5.990 3.093 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.382 0.503 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.862 0.373 5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.764 2.099 3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.084 0.405 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.053 -0.298 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.822 1.277 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.306 1.290 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.682 2.204 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.014 0.361 0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.616 0.208 1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.396 -0.759 2.204 1.00 0.00 H new ATOM 1005 N ALA A 63 3.746 2.302 7.270 1.00 0.00 N ATOM 1006 CA ALA A 63 2.454 2.795 7.847 1.00 0.00 C ATOM 1007 C ALA A 63 2.558 4.277 8.224 1.00 0.00 C ATOM 1008 O ALA A 63 1.570 4.984 8.271 1.00 0.00 O ATOM 1009 CB ALA A 63 2.222 1.946 9.096 1.00 0.00 C ATOM 0 H ALA A 63 4.117 1.454 7.699 1.00 0.00 H new ATOM 0 HA ALA A 63 1.635 2.708 7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.291 2.250 9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.159 0.895 8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.050 2.087 9.791 1.00 0.00 H new ATOM 1015 N LEU A 64 3.742 4.750 8.498 1.00 0.00 N ATOM 1016 CA LEU A 64 3.907 6.184 8.874 1.00 0.00 C ATOM 1017 C LEU A 64 3.826 7.087 7.633 1.00 0.00 C ATOM 1018 O LEU A 64 2.872 7.814 7.440 1.00 0.00 O ATOM 1019 CB LEU A 64 5.297 6.278 9.511 1.00 0.00 C ATOM 1020 CG LEU A 64 5.244 5.820 10.976 1.00 0.00 C ATOM 1021 CD1 LEU A 64 4.298 6.728 11.767 1.00 0.00 C ATOM 1022 CD2 LEU A 64 4.747 4.373 11.050 1.00 0.00 C ATOM 0 H LEU A 64 4.604 4.205 8.478 1.00 0.00 H new ATOM 0 HA LEU A 64 3.121 6.514 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.002 5.660 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.661 7.304 9.457 1.00 0.00 H new ATOM 0 HG LEU A 64 6.244 5.879 11.405 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.263 6.400 12.806 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.659 7.756 11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.298 6.675 11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.711 4.053 12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.749 4.308 10.616 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.426 3.726 10.495 1.00 0.00 H new ATOM 1034 N GLU A 65 4.839 7.054 6.808 1.00 0.00 N ATOM 1035 CA GLU A 65 4.860 7.921 5.588 1.00 0.00 C ATOM 1036 C GLU A 65 3.764 7.536 4.583 1.00 0.00 C ATOM 1037 O GLU A 65 3.470 8.287 3.672 1.00 0.00 O ATOM 1038 CB GLU A 65 6.245 7.690 4.978 1.00 0.00 C ATOM 1039 CG GLU A 65 6.595 8.842 4.031 1.00 0.00 C ATOM 1040 CD GLU A 65 5.915 8.620 2.679 1.00 0.00 C ATOM 1041 OE1 GLU A 65 5.986 7.511 2.177 1.00 0.00 O ATOM 1042 OE2 GLU A 65 5.335 9.564 2.168 1.00 0.00 O ATOM 0 H GLU A 65 5.660 6.460 6.926 1.00 0.00 H new ATOM 0 HA GLU A 65 4.672 8.964 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.993 7.617 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.260 6.744 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.272 9.790 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.675 8.903 3.900 1.00 0.00 H new ATOM 1049 N THR A 66 3.162 6.381 4.718 1.00 0.00 N ATOM 1050 CA THR A 66 2.103 5.978 3.737 1.00 0.00 C ATOM 1051 C THR A 66 1.063 7.096 3.557 1.00 0.00 C ATOM 1052 O THR A 66 0.690 7.426 2.447 1.00 0.00 O ATOM 1053 CB THR A 66 1.449 4.721 4.320 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.419 4.283 3.448 1.00 0.00 O ATOM 1055 CG2 THR A 66 0.857 5.030 5.694 1.00 0.00 C ATOM 0 H THR A 66 3.354 5.704 5.457 1.00 0.00 H new ATOM 0 HA THR A 66 2.529 5.789 2.752 1.00 0.00 H new ATOM 0 HB THR A 66 2.201 3.939 4.425 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.001 3.478 3.816 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.394 4.131 6.101 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.648 5.366 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.105 5.814 5.598 1.00 0.00 H new ATOM 1063 N LEU A 67 0.595 7.685 4.628 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.412 8.776 4.495 1.00 0.00 C ATOM 1065 C LEU A 67 0.263 10.144 4.652 1.00 0.00 C ATOM 1066 O LEU A 67 0.114 11.020 3.824 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.409 8.537 5.631 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.075 7.170 5.452 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -2.084 6.424 6.791 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.514 7.359 4.971 1.00 0.00 C ATOM 0 H LEU A 67 0.867 7.457 5.584 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.897 8.772 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.897 8.580 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.164 9.323 5.636 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.517 6.592 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.558 5.451 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.060 6.285 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.640 7.004 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.986 6.385 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.071 7.939 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.513 7.888 4.018 1.00 0.00 H new ATOM 1082 N LEU A 68 1.009 10.325 5.708 1.00 0.00 N ATOM 1083 CA LEU A 68 1.704 11.629 5.929 1.00 0.00 C ATOM 1084 C LEU A 68 3.127 11.377 6.439 1.00 0.00 C ATOM 1085 O LEU A 68 3.413 10.350 7.020 1.00 0.00 O ATOM 1086 CB LEU A 68 0.887 12.363 7.007 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.353 13.049 6.405 1.00 0.00 C ATOM 1088 CD1 LEU A 68 0.019 13.814 5.131 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.424 12.001 6.085 1.00 0.00 C ATOM 0 H LEU A 68 1.169 9.624 6.431 1.00 0.00 H new ATOM 0 HA LEU A 68 1.774 12.211 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.576 11.654 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.515 13.108 7.497 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.745 13.757 7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.871 14.292 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.763 14.575 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.430 13.121 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.299 12.493 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.027 11.282 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.709 11.481 7.000 1.00 0.00 H new ATOM 1101 N LEU A 69 4.018 12.310 6.232 1.00 0.00 N ATOM 1102 CA LEU A 69 5.419 12.122 6.714 1.00 0.00 C ATOM 1103 C LEU A 69 5.544 12.599 8.166 1.00 0.00 C ATOM 1104 O LEU A 69 5.323 13.754 8.471 1.00 0.00 O ATOM 1105 CB LEU A 69 6.282 12.980 5.779 1.00 0.00 C ATOM 1106 CG LEU A 69 5.908 14.458 5.928 1.00 0.00 C ATOM 1107 CD1 LEU A 69 6.964 15.169 6.777 1.00 0.00 C ATOM 1108 CD2 LEU A 69 5.844 15.112 4.545 1.00 0.00 C ATOM 0 H LEU A 69 3.838 13.192 5.752 1.00 0.00 H new ATOM 0 HA LEU A 69 5.728 11.077 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.337 12.838 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.139 12.663 4.746 1.00 0.00 H new ATOM 0 HG LEU A 69 4.935 14.538 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.698 16.221 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.011 14.705 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.936 15.088 6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.578 16.164 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.816 15.031 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.092 14.607 3.938 1.00 0.00 H new ATOM 1120 N ASN A 70 5.892 11.718 9.065 1.00 0.00 N ATOM 1121 CA ASN A 70 6.026 12.123 10.495 1.00 0.00 C ATOM 1122 C ASN A 70 7.247 11.451 11.130 1.00 0.00 C ATOM 1123 O ASN A 70 7.631 10.361 10.757 1.00 0.00 O ATOM 1124 CB ASN A 70 4.738 11.639 11.162 1.00 0.00 C ATOM 1125 CG ASN A 70 4.450 12.493 12.399 1.00 0.00 C ATOM 1126 OD1 ASN A 70 4.150 11.908 13.525 1.00 0.00 O flip ATOM 1127 ND2 ASN A 70 4.500 13.705 12.339 1.00 0.00 N flip ATOM 0 H ASN A 70 6.089 10.736 8.872 1.00 0.00 H new ATOM 0 HA ASN A 70 6.167 13.198 10.607 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.906 11.704 10.461 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.835 10.591 11.445 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.735 14.163 11.458 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.307 14.265 13.169 1.00 0.00 H new ATOM 1134 N GLY A 71 7.860 12.101 12.085 1.00 0.00 N ATOM 1135 CA GLY A 71 9.058 11.506 12.745 1.00 0.00 C ATOM 1136 C GLY A 71 8.617 10.494 13.805 1.00 0.00 C ATOM 1137 O GLY A 71 9.148 9.404 13.891 1.00 0.00 O ATOM 0 H GLY A 71 7.582 13.018 12.436 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.688 11.017 12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.658 12.291 13.206 1.00 0.00 H new ATOM 1141 N VAL A 72 7.653 10.845 14.614 1.00 0.00 N ATOM 1142 CA VAL A 72 7.181 9.899 15.669 1.00 0.00 C ATOM 1143 C VAL A 72 5.650 9.866 15.703 1.00 0.00 C ATOM 1144 O VAL A 72 4.997 10.890 15.742 1.00 0.00 O ATOM 1145 CB VAL A 72 7.739 10.447 16.985 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.401 9.477 18.119 1.00 0.00 C ATOM 1147 CG2 VAL A 72 9.258 10.590 16.880 1.00 0.00 C ATOM 0 H VAL A 72 7.172 11.744 14.591 1.00 0.00 H new ATOM 0 HA VAL A 72 7.517 8.879 15.484 1.00 0.00 H new ATOM 0 HB VAL A 72 7.296 11.422 17.188 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.797 9.863 19.058 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.319 9.371 18.197 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.846 8.504 17.911 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.652 10.980 17.818 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.702 9.615 16.677 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.504 11.276 16.070 1.00 0.00 H new ATOM 1157 N LEU A 73 5.081 8.692 15.687 1.00 0.00 N ATOM 1158 CA LEU A 73 3.592 8.576 15.714 1.00 0.00 C ATOM 1159 C LEU A 73 3.182 7.397 16.603 1.00 0.00 C ATOM 1160 O LEU A 73 3.848 6.382 16.638 1.00 0.00 O ATOM 1161 CB LEU A 73 3.207 8.327 14.249 1.00 0.00 C ATOM 1162 CG LEU A 73 1.733 8.674 14.010 1.00 0.00 C ATOM 1163 CD1 LEU A 73 0.844 7.696 14.777 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.443 10.105 14.477 1.00 0.00 C ATOM 0 H LEU A 73 5.583 7.805 15.656 1.00 0.00 H new ATOM 0 HA LEU A 73 3.097 9.459 16.120 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.838 8.928 13.595 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.386 7.283 13.993 1.00 0.00 H new ATOM 0 HG LEU A 73 1.522 8.600 12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.203 7.945 14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.037 6.681 14.431 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.063 7.764 15.843 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.393 10.339 14.302 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.661 10.192 15.541 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.068 10.803 13.920 1.00 0.00 H new ATOM 1176 N THR A 74 2.099 7.524 17.324 1.00 0.00 N ATOM 1177 CA THR A 74 1.663 6.405 18.213 1.00 0.00 C ATOM 1178 C THR A 74 0.851 5.377 17.422 1.00 0.00 C ATOM 1179 O THR A 74 -0.188 5.683 16.868 1.00 0.00 O ATOM 1180 CB THR A 74 0.794 7.057 19.292 1.00 0.00 C ATOM 1181 OG1 THR A 74 -0.350 7.646 18.688 1.00 0.00 O ATOM 1182 CG2 THR A 74 1.605 8.129 20.024 1.00 0.00 C ATOM 0 H THR A 74 1.500 8.349 17.337 1.00 0.00 H new ATOM 0 HA THR A 74 2.513 5.875 18.642 1.00 0.00 H new ATOM 0 HB THR A 74 0.473 6.300 20.008 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.399 7.375 17.747 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.986 8.593 20.792 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.478 7.671 20.489 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.930 8.888 19.313 1.00 0.00 H new ATOM 1190 N LEU A 75 1.316 4.157 17.370 1.00 0.00 N ATOM 1191 CA LEU A 75 0.573 3.102 16.621 1.00 0.00 C ATOM 1192 C LEU A 75 -0.455 2.436 17.540 1.00 0.00 C ATOM 1193 O LEU A 75 -0.213 2.232 18.713 1.00 0.00 O ATOM 1194 CB LEU A 75 1.637 2.096 16.189 1.00 0.00 C ATOM 1195 CG LEU A 75 2.357 2.611 14.943 1.00 0.00 C ATOM 1196 CD1 LEU A 75 3.585 3.425 15.358 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.801 1.423 14.086 1.00 0.00 C ATOM 0 H LEU A 75 2.179 3.845 17.815 1.00 0.00 H new ATOM 0 HA LEU A 75 0.028 3.505 15.768 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.353 1.940 16.996 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.176 1.131 15.981 1.00 0.00 H new ATOM 0 HG LEU A 75 1.680 3.244 14.369 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.097 3.791 14.468 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.271 4.271 15.970 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.263 2.794 15.932 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.315 1.788 13.197 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.477 0.791 14.662 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.928 0.843 13.788 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.601 2.095 17.014 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.646 1.443 17.857 1.00 0.00 C ATOM 1211 C VAL A 76 -3.426 0.411 17.037 1.00 0.00 C ATOM 1212 O VAL A 76 -3.318 0.354 15.828 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.567 2.580 18.306 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.785 3.550 19.194 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -4.095 3.327 17.077 1.00 0.00 C ATOM 0 H VAL A 76 -1.859 2.239 16.038 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.214 0.911 18.705 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.405 2.167 18.868 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.441 4.360 19.514 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.410 3.020 20.069 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.947 3.962 18.632 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.751 4.137 17.397 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.258 3.739 16.514 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.653 2.637 16.444 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.214 -0.397 17.692 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.011 -1.426 16.965 1.00 0.00 C ATOM 1227 C LEU A 77 -6.440 -1.461 17.519 1.00 0.00 C ATOM 1228 O LEU A 77 -6.666 -1.213 18.687 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.290 -2.752 17.223 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.209 -3.018 18.730 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -5.265 -4.050 19.124 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.818 -3.557 19.081 1.00 0.00 C ATOM 0 H LEU A 77 -4.341 -0.389 18.704 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.088 -1.218 15.898 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.820 -3.566 16.729 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.287 -2.720 16.796 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.387 -2.089 19.271 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.207 -4.239 20.196 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.256 -3.670 18.876 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.086 -4.979 18.582 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.761 -3.746 20.153 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.640 -4.486 18.539 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.062 -2.823 18.801 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.404 -1.762 16.691 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.818 -1.803 17.170 1.00 0.00 C ATOM 1246 C GLU A 78 -9.225 -3.231 17.554 1.00 0.00 C ATOM 1247 O GLU A 78 -10.232 -3.438 18.204 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.651 -1.309 15.987 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.099 -1.098 16.437 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.831 -0.228 15.416 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -12.047 -0.699 14.311 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.162 0.897 15.753 1.00 0.00 O ATOM 0 H GLU A 78 -7.275 -1.981 15.703 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.962 -1.191 18.060 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.239 -0.376 15.602 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.613 -2.034 15.174 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.603 -2.059 16.538 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.120 -0.622 17.417 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.458 -4.214 17.160 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.809 -5.629 17.503 1.00 0.00 C ATOM 1261 C GLU A 79 -9.092 -5.769 19.006 1.00 0.00 C ATOM 1262 O GLU A 79 -10.206 -6.025 19.413 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.581 -6.450 17.106 1.00 0.00 C ATOM 1264 CG GLU A 79 -7.958 -7.931 17.026 1.00 0.00 C ATOM 1265 CD GLU A 79 -6.698 -8.770 16.809 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -5.922 -8.890 17.743 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -6.530 -9.277 15.713 1.00 0.00 O ATOM 0 H GLU A 79 -7.603 -4.100 16.615 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.709 -5.963 16.986 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.199 -6.109 16.144 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.784 -6.306 17.835 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.459 -8.239 17.944 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.661 -8.094 16.209 1.00 0.00 H new ATOM 1274 N ASP A 80 -8.090 -5.601 19.827 1.00 0.00 N ATOM 1275 CA ASP A 80 -8.299 -5.723 21.300 1.00 0.00 C ATOM 1276 C ASP A 80 -8.404 -4.337 21.942 1.00 0.00 C ATOM 1277 O ASP A 80 -8.970 -4.179 23.006 1.00 0.00 O ATOM 1278 CB ASP A 80 -7.059 -6.458 21.813 1.00 0.00 C ATOM 1279 CG ASP A 80 -7.321 -6.972 23.229 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -8.232 -7.768 23.390 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.604 -6.563 24.129 1.00 0.00 O ATOM 0 H ASP A 80 -7.135 -5.384 19.542 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.220 -6.252 21.543 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.817 -7.290 21.152 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.199 -5.788 21.811 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.862 -3.331 21.305 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.933 -1.956 21.880 1.00 0.00 C ATOM 1288 C GLY A 81 -6.713 -1.706 22.770 1.00 0.00 C ATOM 1289 O GLY A 81 -6.832 -1.540 23.969 1.00 0.00 O ATOM 0 H GLY A 81 -7.374 -3.403 20.412 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.968 -1.218 21.079 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.848 -1.841 22.460 1.00 0.00 H new ATOM 1293 N THR A 82 -5.541 -1.672 22.191 1.00 0.00 N ATOM 1294 CA THR A 82 -4.312 -1.429 23.002 1.00 0.00 C ATOM 1295 C THR A 82 -3.349 -0.511 22.243 1.00 0.00 C ATOM 1296 O THR A 82 -3.470 -0.319 21.050 1.00 0.00 O ATOM 1297 CB THR A 82 -3.688 -2.811 23.207 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.618 -3.651 23.877 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.417 -2.683 24.048 1.00 0.00 C ATOM 0 H THR A 82 -5.382 -1.802 21.192 1.00 0.00 H new ATOM 0 HA THR A 82 -4.535 -0.940 23.950 1.00 0.00 H new ATOM 0 HB THR A 82 -3.436 -3.243 22.239 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.222 -4.538 24.009 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.975 -3.669 24.192 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.704 -2.038 23.534 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.664 -2.251 25.018 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.392 0.056 22.930 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.418 0.960 22.254 1.00 0.00 C ATOM 1309 C ALA A 83 -0.234 0.152 21.711 1.00 0.00 C ATOM 1310 O ALA A 83 0.018 -0.957 22.139 1.00 0.00 O ATOM 1311 CB ALA A 83 -0.953 1.925 23.345 1.00 0.00 C ATOM 0 H ALA A 83 -2.244 -0.069 23.931 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.860 1.484 21.406 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.231 2.626 22.927 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.810 2.475 23.734 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.486 1.362 24.153 1.00 0.00 H new ATOM 1317 N VAL A 84 0.494 0.701 20.774 1.00 0.00 N ATOM 1318 CA VAL A 84 1.659 -0.035 20.207 1.00 0.00 C ATOM 1319 C VAL A 84 2.790 0.941 19.868 1.00 0.00 C ATOM 1320 O VAL A 84 2.582 1.946 19.217 1.00 0.00 O ATOM 1321 CB VAL A 84 1.128 -0.706 18.937 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.257 -1.478 18.250 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.005 -1.676 19.309 1.00 0.00 C ATOM 0 H VAL A 84 0.331 1.627 20.378 1.00 0.00 H new ATOM 0 HA VAL A 84 2.068 -0.761 20.909 1.00 0.00 H new ATOM 0 HB VAL A 84 0.747 0.057 18.258 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.875 -1.954 17.347 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.060 -0.790 17.986 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.641 -2.241 18.927 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.375 -2.155 18.407 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.391 -2.436 19.989 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.802 -1.129 19.797 1.00 0.00 H new ATOM 1333 N ASP A 85 3.984 0.649 20.306 1.00 0.00 N ATOM 1334 CA ASP A 85 5.134 1.556 20.011 1.00 0.00 C ATOM 1335 C ASP A 85 6.418 0.740 19.808 1.00 0.00 C ATOM 1336 O ASP A 85 7.513 1.256 19.915 1.00 0.00 O ATOM 1337 CB ASP A 85 5.257 2.457 21.243 1.00 0.00 C ATOM 1338 CG ASP A 85 5.457 1.596 22.494 1.00 0.00 C ATOM 1339 OD1 ASP A 85 4.495 0.982 22.927 1.00 0.00 O ATOM 1340 OD2 ASP A 85 6.567 1.566 22.997 1.00 0.00 O ATOM 0 H ASP A 85 4.215 -0.178 20.856 1.00 0.00 H new ATOM 0 HA ASP A 85 4.980 2.133 19.099 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.097 3.141 21.123 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.361 3.068 21.350 1.00 0.00 H new ATOM 1345 N SER A 86 6.288 -0.528 19.516 1.00 0.00 N ATOM 1346 CA SER A 86 7.501 -1.374 19.308 1.00 0.00 C ATOM 1347 C SER A 86 7.238 -2.428 18.229 1.00 0.00 C ATOM 1348 O SER A 86 6.138 -2.554 17.725 1.00 0.00 O ATOM 1349 CB SER A 86 7.754 -2.042 20.659 1.00 0.00 C ATOM 1350 OG SER A 86 6.611 -2.800 21.030 1.00 0.00 O ATOM 0 H SER A 86 5.397 -1.013 19.413 1.00 0.00 H new ATOM 0 HA SER A 86 8.358 -0.789 18.974 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.630 -2.688 20.600 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.966 -1.287 21.417 1.00 0.00 H new ATOM 0 HG SER A 86 6.771 -3.231 21.895 1.00 0.00 H new ATOM 1356 N GLU A 87 8.240 -3.187 17.873 1.00 0.00 N ATOM 1357 CA GLU A 87 8.055 -4.239 16.825 1.00 0.00 C ATOM 1358 C GLU A 87 7.034 -5.287 17.286 1.00 0.00 C ATOM 1359 O GLU A 87 6.555 -6.080 16.500 1.00 0.00 O ATOM 1360 CB GLU A 87 9.434 -4.878 16.656 1.00 0.00 C ATOM 1361 CG GLU A 87 9.382 -5.913 15.531 1.00 0.00 C ATOM 1362 CD GLU A 87 10.793 -6.156 14.994 1.00 0.00 C ATOM 1363 OE1 GLU A 87 11.531 -5.192 14.862 1.00 0.00 O ATOM 1364 OE2 GLU A 87 11.113 -7.302 14.720 1.00 0.00 O ATOM 0 H GLU A 87 9.181 -3.126 18.262 1.00 0.00 H new ATOM 0 HA GLU A 87 7.678 -3.822 15.891 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.176 -4.113 16.427 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.743 -5.353 17.587 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.957 -6.846 15.901 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.732 -5.562 14.729 1.00 0.00 H new ATOM 1371 N ASP A 88 6.698 -5.296 18.550 1.00 0.00 N ATOM 1372 CA ASP A 88 5.708 -6.293 19.059 1.00 0.00 C ATOM 1373 C ASP A 88 4.332 -6.078 18.416 1.00 0.00 C ATOM 1374 O ASP A 88 3.439 -6.887 18.573 1.00 0.00 O ATOM 1375 CB ASP A 88 5.637 -6.042 20.567 1.00 0.00 C ATOM 1376 CG ASP A 88 5.091 -7.289 21.267 1.00 0.00 C ATOM 1377 OD1 ASP A 88 4.213 -7.923 20.704 1.00 0.00 O ATOM 1378 OD2 ASP A 88 5.560 -7.588 22.352 1.00 0.00 O ATOM 0 H ASP A 88 7.067 -4.655 19.253 1.00 0.00 H new ATOM 0 HA ASP A 88 6.004 -7.315 18.822 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.627 -5.799 20.953 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.995 -5.185 20.774 1.00 0.00 H new ATOM 1383 N PHE A 89 4.150 -4.991 17.700 1.00 0.00 N ATOM 1384 CA PHE A 89 2.829 -4.713 17.047 1.00 0.00 C ATOM 1385 C PHE A 89 2.218 -5.996 16.460 1.00 0.00 C ATOM 1386 O PHE A 89 1.308 -6.571 17.022 1.00 0.00 O ATOM 1387 CB PHE A 89 3.151 -3.708 15.933 1.00 0.00 C ATOM 1388 CG PHE A 89 1.937 -3.501 15.057 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.682 -3.282 15.634 1.00 0.00 C ATOM 1390 CD2 PHE A 89 2.068 -3.530 13.667 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.443 -3.091 14.823 1.00 0.00 C ATOM 1392 CE2 PHE A 89 0.948 -3.342 12.848 1.00 0.00 C ATOM 1393 CZ PHE A 89 -0.321 -3.119 13.419 1.00 0.00 C ATOM 0 H PHE A 89 4.864 -4.281 17.539 1.00 0.00 H new ATOM 0 HA PHE A 89 2.097 -4.328 17.757 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.462 -2.758 16.368 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.985 -4.072 15.333 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.580 -3.260 16.709 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.037 -3.698 13.222 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.409 -2.921 15.275 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.057 -3.368 11.774 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.187 -2.972 12.790 1.00 0.00 H new ATOM 1403 N PHE A 90 2.706 -6.442 15.333 1.00 0.00 N ATOM 1404 CA PHE A 90 2.145 -7.679 14.710 1.00 0.00 C ATOM 1405 C PHE A 90 2.288 -8.876 15.660 1.00 0.00 C ATOM 1406 O PHE A 90 1.559 -9.842 15.564 1.00 0.00 O ATOM 1407 CB PHE A 90 2.977 -7.904 13.446 1.00 0.00 C ATOM 1408 CG PHE A 90 2.479 -6.995 12.347 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.255 -7.254 11.726 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.245 -5.898 11.950 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.793 -6.418 10.704 1.00 0.00 C ATOM 1412 CE2 PHE A 90 2.790 -5.054 10.929 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.557 -5.306 10.294 1.00 0.00 C ATOM 0 H PHE A 90 3.469 -6.004 14.816 1.00 0.00 H new ATOM 0 HA PHE A 90 1.083 -7.575 14.490 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.029 -7.704 13.650 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.906 -8.945 13.132 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.663 -8.103 12.036 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.191 -5.699 12.431 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.153 -6.625 10.227 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.387 -4.206 10.627 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.203 -4.658 9.506 1.00 0.00 H new ATOM 1423 N GLN A 91 3.219 -8.817 16.575 1.00 0.00 N ATOM 1424 CA GLN A 91 3.405 -9.951 17.525 1.00 0.00 C ATOM 1425 C GLN A 91 2.381 -9.879 18.664 1.00 0.00 C ATOM 1426 O GLN A 91 2.262 -10.791 19.458 1.00 0.00 O ATOM 1427 CB GLN A 91 4.824 -9.782 18.070 1.00 0.00 C ATOM 1428 CG GLN A 91 5.268 -11.077 18.755 1.00 0.00 C ATOM 1429 CD GLN A 91 6.754 -11.318 18.480 1.00 0.00 C ATOM 1430 OE1 GLN A 91 7.576 -10.454 18.714 1.00 0.00 O ATOM 1431 NE2 GLN A 91 7.137 -12.464 17.989 1.00 0.00 N ATOM 0 H GLN A 91 3.858 -8.033 16.705 1.00 0.00 H new ATOM 0 HA GLN A 91 3.263 -10.916 17.039 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.509 -9.534 17.259 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.856 -8.954 18.778 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.092 -11.011 19.829 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.678 -11.916 18.386 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.448 -13.190 17.792 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.125 -12.634 17.802 1.00 0.00 H new ATOM 1440 N LEU A 92 1.645 -8.802 18.755 1.00 0.00 N ATOM 1441 CA LEU A 92 0.636 -8.678 19.847 1.00 0.00 C ATOM 1442 C LEU A 92 -0.720 -9.239 19.398 1.00 0.00 C ATOM 1443 O LEU A 92 -1.594 -9.488 20.203 1.00 0.00 O ATOM 1444 CB LEU A 92 0.531 -7.177 20.121 1.00 0.00 C ATOM 1445 CG LEU A 92 -0.182 -6.947 21.455 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.472 -5.772 22.188 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.656 -6.629 21.197 1.00 0.00 C ATOM 0 H LEU A 92 1.699 -8.005 18.121 1.00 0.00 H new ATOM 0 HA LEU A 92 0.926 -9.238 20.736 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.525 -6.732 20.147 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.016 -6.688 19.315 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.105 -7.846 22.067 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.036 -5.608 23.138 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.522 -5.997 22.372 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.395 -4.873 21.576 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.165 -6.465 22.147 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.733 -5.731 20.585 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.123 -7.465 20.675 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.900 -9.437 18.118 1.00 0.00 N ATOM 1460 CA LEU A 93 -2.201 -9.982 17.621 1.00 0.00 C ATOM 1461 C LEU A 93 -1.951 -11.194 16.722 1.00 0.00 C ATOM 1462 O LEU A 93 -0.846 -11.424 16.272 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.833 -8.844 16.809 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.808 -7.542 17.614 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.582 -6.719 17.210 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -4.077 -6.735 17.320 1.00 0.00 C ATOM 0 H LEU A 93 -0.205 -9.246 17.396 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.847 -10.308 18.436 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.291 -8.711 15.873 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.860 -9.100 16.549 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.761 -7.774 18.678 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.562 -5.791 17.782 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.677 -7.291 17.414 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.633 -6.488 16.146 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.060 -5.808 17.893 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.122 -6.503 16.256 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.953 -7.319 17.602 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.971 -11.966 16.446 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.781 -13.154 15.561 1.00 0.00 C ATOM 1480 C GLU A 94 -2.390 -12.678 14.162 1.00 0.00 C ATOM 1481 O GLU A 94 -2.352 -11.492 13.897 1.00 0.00 O ATOM 1482 CB GLU A 94 -4.141 -13.856 15.533 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.930 -15.371 15.515 1.00 0.00 C ATOM 1484 CD GLU A 94 -5.073 -16.055 16.268 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -6.189 -15.570 16.178 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -4.814 -17.052 16.919 1.00 0.00 O ATOM 0 H GLU A 94 -3.920 -11.827 16.792 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.996 -13.823 15.913 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.728 -13.570 16.405 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.705 -13.546 14.653 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.891 -15.731 14.487 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.975 -15.621 15.977 1.00 0.00 H new ATOM 1493 N ASP A 95 -2.090 -13.577 13.262 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.696 -13.132 11.896 1.00 0.00 C ATOM 1495 C ASP A 95 -2.873 -12.427 11.217 1.00 0.00 C ATOM 1496 O ASP A 95 -3.934 -12.993 11.035 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.333 -14.413 11.145 1.00 0.00 C ATOM 1498 CG ASP A 95 -0.892 -14.067 9.720 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.052 -13.195 9.579 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.401 -14.682 8.798 1.00 0.00 O ATOM 0 H ASP A 95 -2.101 -14.586 13.411 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.865 -12.426 11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.533 -14.938 11.667 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.190 -15.086 11.118 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.683 -11.194 10.839 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.771 -10.433 10.162 1.00 0.00 C ATOM 1507 C ASP A 96 -3.207 -9.137 9.577 1.00 0.00 C ATOM 1508 O ASP A 96 -2.059 -8.802 9.796 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.797 -10.133 11.260 1.00 0.00 C ATOM 1510 CG ASP A 96 -4.137 -9.328 12.383 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.663 -8.240 12.107 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -4.122 -9.814 13.503 1.00 0.00 O ATOM 0 H ASP A 96 -1.814 -10.676 10.971 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.219 -10.989 9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.635 -9.574 10.844 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.201 -11.064 11.657 1.00 0.00 H new ATOM 1517 N THR A 97 -4.002 -8.393 8.859 1.00 0.00 N ATOM 1518 CA THR A 97 -3.497 -7.109 8.298 1.00 0.00 C ATOM 1519 C THR A 97 -4.333 -5.954 8.845 1.00 0.00 C ATOM 1520 O THR A 97 -5.438 -5.706 8.404 1.00 0.00 O ATOM 1521 CB THR A 97 -3.667 -7.221 6.783 1.00 0.00 C ATOM 1522 OG1 THR A 97 -3.643 -8.587 6.395 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.529 -6.470 6.086 1.00 0.00 C ATOM 0 H THR A 97 -4.972 -8.616 8.638 1.00 0.00 H new ATOM 0 HA THR A 97 -2.457 -6.922 8.565 1.00 0.00 H new ATOM 0 HB THR A 97 -4.623 -6.784 6.495 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.754 -8.653 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.649 -6.549 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.553 -5.420 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.573 -6.906 6.378 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.805 -5.243 9.799 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.547 -4.094 10.386 1.00 0.00 C ATOM 1533 C CYS A 98 -3.568 -2.958 10.662 1.00 0.00 C ATOM 1534 O CYS A 98 -2.497 -3.179 11.190 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.142 -4.630 11.688 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.382 -3.469 12.310 1.00 0.00 S ATOM 0 H CYS A 98 -2.883 -5.410 10.201 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.323 -3.704 9.727 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.596 -5.606 11.518 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.355 -4.769 12.429 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.889 -3.927 13.416 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.909 -1.752 10.311 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.970 -0.625 10.562 1.00 0.00 C ATOM 1544 C LEU A 99 -3.732 0.621 11.010 1.00 0.00 C ATOM 1545 O LEU A 99 -4.777 0.947 10.482 1.00 0.00 O ATOM 1546 CB LEU A 99 -2.274 -0.389 9.215 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.942 0.349 9.415 1.00 0.00 C ATOM 1548 CD1 LEU A 99 -1.197 1.744 9.993 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.050 -0.445 10.373 1.00 0.00 C ATOM 0 H LEU A 99 -4.790 -1.498 9.864 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.257 -0.849 11.356 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.096 -1.344 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.924 0.193 8.561 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.444 0.446 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.247 2.260 10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.822 2.314 9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.704 1.653 10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.894 0.082 10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.552 -0.550 11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.144 -1.433 9.955 1.00 0.00 H new ATOM 1561 N MET A 100 -3.209 1.321 11.974 1.00 0.00 N ATOM 1562 CA MET A 100 -3.882 2.559 12.460 1.00 0.00 C ATOM 1563 C MET A 100 -2.818 3.582 12.868 1.00 0.00 C ATOM 1564 O MET A 100 -1.863 3.253 13.544 1.00 0.00 O ATOM 1565 CB MET A 100 -4.701 2.113 13.674 1.00 0.00 C ATOM 1566 CG MET A 100 -5.810 3.134 13.953 1.00 0.00 C ATOM 1567 SD MET A 100 -7.424 2.388 13.612 1.00 0.00 S ATOM 1568 CE MET A 100 -7.879 2.031 15.328 1.00 0.00 C ATOM 0 H MET A 100 -2.338 1.089 12.451 1.00 0.00 H new ATOM 0 HA MET A 100 -4.512 3.027 11.704 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.136 1.131 13.490 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.054 2.017 14.546 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.762 3.463 14.991 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.668 4.018 13.332 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.954 1.864 15.392 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.352 1.139 15.666 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.605 2.876 15.960 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.965 4.814 12.460 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.946 5.840 12.829 1.00 0.00 C ATOM 1580 C VAL A 101 -2.631 7.139 13.266 1.00 0.00 C ATOM 1581 O VAL A 101 -3.254 7.824 12.477 1.00 0.00 O ATOM 1582 CB VAL A 101 -1.132 6.054 11.550 1.00 0.00 C ATOM 1583 CG1 VAL A 101 -0.082 7.147 11.775 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.427 4.749 11.172 1.00 0.00 C ATOM 0 H VAL A 101 -3.741 5.153 11.891 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.320 5.526 13.664 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.803 6.359 10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.493 7.293 10.860 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.579 8.079 12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.588 6.847 12.581 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.153 4.899 10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.239 4.448 11.981 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.170 3.969 11.004 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.506 7.485 14.520 1.00 0.00 N ATOM 1595 CA LEU A 102 -3.133 8.741 15.026 1.00 0.00 C ATOM 1596 C LEU A 102 -2.271 9.356 16.135 1.00 0.00 C ATOM 1597 O LEU A 102 -1.279 8.785 16.556 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.521 8.343 15.557 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.462 6.993 16.285 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -3.517 7.088 17.483 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -5.863 6.624 16.776 1.00 0.00 C ATOM 0 H LEU A 102 -1.993 6.948 15.220 1.00 0.00 H new ATOM 0 HA LEU A 102 -3.219 9.493 14.242 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.889 9.112 16.237 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.228 8.284 14.730 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.096 6.230 15.598 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.480 6.126 17.995 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.518 7.354 17.138 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.878 7.852 18.172 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.826 5.666 17.294 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.223 7.393 17.460 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.539 6.551 15.924 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.639 10.514 16.614 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.842 11.162 17.697 1.00 0.00 C ATOM 1615 C GLN A 103 -2.214 10.566 19.058 1.00 0.00 C ATOM 1616 O GLN A 103 -3.285 10.015 19.233 1.00 0.00 O ATOM 1617 CB GLN A 103 -2.222 12.641 17.635 1.00 0.00 C ATOM 1618 CG GLN A 103 -1.204 13.465 18.427 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.794 14.840 18.739 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -1.419 15.825 18.136 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -2.710 14.948 19.663 1.00 0.00 N ATOM 0 H GLN A 103 -3.456 11.039 16.303 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.770 11.011 17.569 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.250 12.977 16.598 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.222 12.788 18.044 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.944 12.950 19.352 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.283 13.574 17.854 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.024 14.120 20.169 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.111 15.860 19.879 1.00 0.00 H new ATOM 1630 N SER A 104 -1.339 10.674 20.024 1.00 0.00 N ATOM 1631 CA SER A 104 -1.640 10.114 21.376 1.00 0.00 C ATOM 1632 C SER A 104 -2.910 10.754 21.946 1.00 0.00 C ATOM 1633 O SER A 104 -3.416 11.725 21.418 1.00 0.00 O ATOM 1634 CB SER A 104 -0.428 10.476 22.235 1.00 0.00 C ATOM 1635 OG SER A 104 -0.378 11.885 22.404 1.00 0.00 O ATOM 0 H SER A 104 -0.429 11.126 19.935 1.00 0.00 H new ATOM 0 HA SER A 104 -1.813 9.038 21.346 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.495 9.984 23.205 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.487 10.122 21.761 1.00 0.00 H new ATOM 0 HG SER A 104 0.397 12.121 22.956 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.426 10.216 23.018 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.662 10.792 23.623 1.00 0.00 C ATOM 1643 C GLY A 105 -5.859 10.500 22.716 1.00 0.00 C ATOM 1644 O GLY A 105 -6.706 11.344 22.502 1.00 0.00 O ATOM 0 H GLY A 105 -3.045 9.402 23.501 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.829 10.365 24.612 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.547 11.868 23.756 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.935 9.310 22.181 1.00 0.00 N ATOM 1649 CA GLN A 106 -7.077 8.962 21.285 1.00 0.00 C ATOM 1650 C GLN A 106 -7.548 7.531 21.563 1.00 0.00 C ATOM 1651 O GLN A 106 -6.750 6.623 21.699 1.00 0.00 O ATOM 1652 CB GLN A 106 -6.516 9.079 19.868 1.00 0.00 C ATOM 1653 CG GLN A 106 -7.665 9.245 18.874 1.00 0.00 C ATOM 1654 CD GLN A 106 -7.134 9.848 17.573 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -6.221 10.652 17.591 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -7.668 9.494 16.436 1.00 0.00 N ATOM 0 H GLN A 106 -5.255 8.563 22.326 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.938 9.614 21.437 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.840 9.931 19.803 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.934 8.191 19.622 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.130 8.279 18.676 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.436 9.889 19.297 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.433 8.820 16.420 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.320 9.891 15.563 1.00 0.00 H new ATOM 1665 N SER A 107 -8.834 7.322 21.647 1.00 0.00 N ATOM 1666 CA SER A 107 -9.355 5.951 21.918 1.00 0.00 C ATOM 1667 C SER A 107 -10.134 5.426 20.708 1.00 0.00 C ATOM 1668 O SER A 107 -10.366 6.139 19.750 1.00 0.00 O ATOM 1669 CB SER A 107 -10.282 6.109 23.123 1.00 0.00 C ATOM 1670 OG SER A 107 -9.552 6.672 24.204 1.00 0.00 O ATOM 0 H SER A 107 -9.548 8.043 21.539 1.00 0.00 H new ATOM 0 HA SER A 107 -8.553 5.239 22.110 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.126 6.749 22.866 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.692 5.141 23.411 1.00 0.00 H new ATOM 0 HG SER A 107 -10.143 6.777 24.979 1.00 0.00 H new